2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C11H17FN4O2 — CID 172880779

IUPAC2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H17FN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-8(7-12)4-6-16/h8H,3-7H2,1-2H3
InChIKeyCTIMTAZGUWRJGA-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 172880779) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID172880779
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H17FN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-8(7-12)4-6-16/h8H,3-7H2,1-2H3
InChIKeyCTIMTAZGUWRJGA-UHFFFAOYSA-N
XLogP1.07
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 172880779) is 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCC(CF)CC2)n1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is CTIMTAZGUWRJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-17-10-13-9(14-11(15-10)18-2)16-5-3-8(7-12)4-6-16/h8H,3-7H2,1-2H3.
What are the key properties of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 256.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 172880779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).